Chemical Properties of Benzeneacetic acid, 4-methoxy-, methyl ester (CAS 23786-14-3)

InChI

InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3

InChI Key

ZQYLDVNTWDEAJI-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COC(=O)Cc1ccc(OC)cc1

Molecular Weight¹

180.20

CAS

23786-14-3

Other Names

• Acetic acid, (p-methoxyphenyl)-, methyl ester
• (4-Methoxyphenyl)acetic acid methyl ester
• Methyl (p-methoxyphenyl)acetate
• Methyl (4-methoxyphenyl)acetate
• Methyl 2-(p-methoxyphenyl)acetate
• Phenylacetic acid, 4-methoxy, methyl ester
• Acetic acid, 4-methoxyphenoxy, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5696		Relay (1.0) Calculated Property
ΔfG°	-202.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.72	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	1.411		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[1364.00; 1440.20]
Inp	1364.00		NIST
Inp	1395.20		NIST
Inp	1440.20		NIST
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1385.00		NIST
Inp	1393.00		NIST
Inp	1364.00		NIST
Inp	1385.00		NIST
Inp	1440.20		NIST
Tboil	537.20	K	NIST
Tc	735.44	K	Relay (1.0) Calculated Property
Tfus	283.08	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.98; 392.43]	J/mol×K	[558.57; 770.06]
Cp,gas	323.98	J/mol×K	558.57	Joback Calculated Property
Cp,gas	337.02	J/mol×K	593.82	Joback Calculated Property
Cp,gas	349.42	J/mol×K	629.07	Joback Calculated Property
Cp,gas	361.16	J/mol×K	664.31	Joback Calculated Property
Cp,gas	372.24	J/mol×K	699.56	Joback Calculated Property
Cp,gas	382.66	J/mol×K	734.81	Joback Calculated Property
Cp,gas	392.43	J/mol×K	770.06	Joback Calculated Property
η	[0.0001728; 0.0013400]	Pa×s	[335.79; 558.57]
η	0.0013400	Pa×s	335.79	Joback Calculated Property
η	0.0008036	Pa×s	372.92	Joback Calculated Property
η	0.0005287	Pa×s	410.05	Joback Calculated Property
η	0.0003728	Pa×s	447.18	Joback Calculated Property
η	0.0002774	Pa×s	484.31	Joback Calculated Property
η	0.0002153	Pa×s	521.44	Joback Calculated Property
η	0.0001728	Pa×s	558.57	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-methoxy-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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